3-[ethyl-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methylpropanoic acid

C13H25N3O4 — CID 62852484

IUPAC3-[ethyl-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)N(C)CC(=O)NC(C)C
InChIInChI=1S/C13H25N3O4/c1-6-16(7-10(4)12(18)19)13(20)15(5)8-11(17)14-9(2)3/h9-10H,6-8H2,1-5H3,(H,14,17)(H,18,19)
InChIKeyWBLFUCMHLBXZAU-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.61
Rot. Bonds7

About 3-[ethyl-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methylpropanoic acid

3-[ethyl-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62852484) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[ethyl-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methylpropanoic acid
PubChem CID62852484
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name3-[ethyl-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)N(C)CC(=O)NC(C)C
InChIInChI=1S/C13H25N3O4/c1-6-16(7-10(4)12(18)19)13(20)15(5)8-11(17)14-9(2)3/h9-10H,6-8H2,1-5H3,(H,14,17)(H,18,19)
InChIKeyWBLFUCMHLBXZAU-UHFFFAOYSA-N
XLogP0.61
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[ethyl-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[ethyl-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 62853753
3-[ethyl-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methylpropanoic acid
CID 62854096
3-[[butan-2-yl(methyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
CID 62853736
3-[ethyl-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 62853396
3-[ethyl-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62853214
3-[ethyl-[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853195
2-[[ethyl(2-methylbutyl)carbamoyl]-methylamino]acetic acid
CID 79470163
(2R)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]propanoic acid
CID 78973916
2-[carbamoyl(ethyl)amino]-N-propan-2-ylacetamide
CID 60703127
3-[ethyl-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid
CID 79319687
3-[ethyl-[2-(propan-2-ylamino)acetyl]amino]-2-methylpropanoic acid
CID 62853903
3-[dibutylcarbamoyl(ethyl)amino]-2-methylpropanoic acid
CID 62853369

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methylpropanoic acid (CID 62852484) is 3-[ethyl-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)N(C)CC(=O)NC(C)C.
What is the InChIKey of 3-[ethyl-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is WBLFUCMHLBXZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-6-16(7-10(4)12(18)19)13(20)15(5)8-11(17)14-9(2)3/h9-10H,6-8H2,1-5H3,(H,14,17)(H,18,19).
What are the key properties of 3-[ethyl-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methylpropanoic acid?
3-[ethyl-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 287.36 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62852484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).